6-Oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Basic information
- CAS
64521-17-1- Standard SMILES
c1ccc2cc3c4c(ccc3cc2c1)C1OC1CC4- InChIKey
GUFITYJDZKTZBJ-UHFFFAOYSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Names & identifiers
- Preferred name
- 6-Oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
- IUPAC
- 6-oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Names & synonyms
64521-17-1DTXSID109831531a,10,11,11a-Tetrahydrotetrapheno[3,4-b]oxirene
Database identifiers
- CAS
64521-17-1- PubChem CID
- 47416
- DTXSID
DTXSID10983153- Nikkaji
- J31.837J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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